Pentamorphone
TL;DR: Pentamorphone (CAS 68616-83-1) is a chemical compound with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7aR,12bR)-9-hydroxy-3-methyl-4a-(pentylamino)-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Also Known As: Pentamorphone, Pentamorphonum, Pentamorfona, Pentamorphona, Penomorphone
| Molecular Formula | C22H28N2O3 |
|---|---|
| Molecular Weight | 368.21 g/mol |
| LogP | 2.3087 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.21 |
| Heavy Atoms | 27 |
| Complexity | 835.092 |
Chemical Identifiers
| CAS Number | 68616-83-1 |
|---|---|
| SMILES | CCCCCN[C@@]12C=CC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)O)O3)C |
Product Overview
Pentamorphone (CAS 68616-83-1), with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol. IUPAC: (4R,4aS,7aR,12bR)-9-hydroxy-3-methyl-4a-(pentylamino)-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.
Chemical Property Profile of Pentamorphone
Property Insights of Pentamorphone
The XLogP value of 2.3087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentamorphone. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentamorphone. Following Lipinski's Rule of Five, Pentamorphone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentamorphone?
The CAS number of Pentamorphone is 68616-83-1.
What is the molecular formula of Pentamorphone?
The molecular formula of Pentamorphone is C22H28N2O3.
What is the molecular weight of Pentamorphone?
The molecular weight of Pentamorphone is 368.21 g/mol.
Where can I buy Pentamorphone?
You can request a quote for Pentamorphone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamorphone?
Yes, KEHONG BIO provides custom synthesis services for Pentamorphone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.